ethyl 2-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanylethoxycarbonylamino]-3-phenyl-propanoate CAS Name: 2-[[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]ethoxy-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethoxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-[2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]ethoxycarbonylamino]-3-phenyl-propionic acid ethyl ester Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCCSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCCSC2=CC=CC(=C2C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C29H31N3O4S2/c1-3-35-27(33)25(18-21-10-5-4-6-11-21)32-29(34)36-16-17-37-26-15-9-12-22(20(26)2)19-38-28-30-23-13-7-8-14-24(23)31-28/h4-15,25H,3,16-19H2,1-2H3,(H,30,31)(H,32,34)